| SpectraBase Spectrum ID |
BfOwKQO6j4r |
| Name |
6-Ethyl-2-(1-oxopropyl)-3,4-dihydropyran-2,5-dicarboxylic acid ditert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.219888744 u |
| Formula |
C20H32O6 |
| InChI |
InChI=1S/C20H32O6/c1-9-14-13(16(22)25-18(3,4)5)11-12-20(24-14,15(21)10-2)17(23)26-19(6,7)8/h9-12H2,1-8H3 |
| InChIKey |
CFQRLFRGOVPSND-UHFFFAOYSA-N |
| Molecular Weight |
368.470 g/mol |
| SMILES |
C1(OC(CC)=C(CC1)C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81354 |
